3-chloranyl-4,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-chloro-4,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-chloro-4,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-chloro-4,5-dimethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)OC

InChI

InChI=1S/C22H27ClN2O3/c1-27-20-13-18(12-19(23)21(20)28-2)22(26)24-14-16-8-4-5-9-17(16)15-25-10-6-3-7-11-25/h4-5,8-9,12-13H,3,6-7,10-11,14-15H2,1-2H3,(H,24,26)/p+1